Information card for entry 1520542

Structure parameters

• Formula: C32 H25 N O4
• Calculated formula: C32 H25 N O4
• SMILES: O=C(OC)C(=C)[C@@H](c1c2ccccc2ccc1)CC(=C1\N=C(OC1=O)c1ccccc1)\c1ccccc1
• Title of publication: Organocatalyzed Asymmetric Vinylogous Allylic-Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Olefinic Azlactones: Facile Access to Chiral Multifunctional α-Amino Acid Derivatives.
• Authors of publication: Zhao, Shuai; Zhao, Yuan-Yuan; Lin, Jun-Bing; Xie, Ting; Liang, Yong-Min; Xu, Peng-Fei
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3206 - 3209
• a: 6.62144 ± 0.00014 Å
• b: 20.1343 ± 0.0004 Å
• c: 9.362 ± 0.0002 Å
• α: 90°
• β: 100.915 ± 0.002°
• γ: 90°
• Cell volume: 1225.54 ± 0.04 ų
• Cell temperature: 293.69 ± 0.1 K
• Ambient diffraction temperature: 293.69 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No